Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9830426 | 0.85 | CYP2C9 (0.52) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL9502226 | 0.80 | KDM4E (0.47) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL9034198 | 0.67 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL9504224 | 0.66 | KDM4E (0.61) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL29756037 | 0.66 | KDM4E (0.90) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL3029888 | 0.66 | KDM4E (0.90) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL7265394 | 0.64 | CYP2C9 (0.82) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL9502346 | 0.64 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2C19ABCB11ADORA3 | |
| SCHEMBL5854638 | 0.64 | CACNA1B (0.72) | CYP2C9CYP3A4CYP2C19KDM4EMEN1 | |
| SCHEMBL5854633 | 0.64 | CACNA1B (0.72) | CYP2C9CYP3A4CYP2C19KDM4EMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | disclosed |